Geometry & MOs

Info

ID:	130372
PubChem CID:	51075748
Reduced:	NSF3O3H8C9 (1)
Stoich.:	ABC3D3E8F9 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-259.56
Dipole, Da:	2.87
IP(EA), eV:	-9.91(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-1-(2-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(S1)C(=O)NCC(F)(F)F

DOS

IR

Vibrations